CAS: 90259-27-1; 2-Fluoro-6-Methylbenzoic Acid

该化合物是一种氟芳烃碳酸衍生物,其特点是2位置有氟原子,6位置有甲基组,该化合物在有机合成中广泛用作多用途中间体,特别是在制药和农用化学应用中;其结构特征,包括用电子提取的氟和对甲基组产生...

英文名称2-Fluoro-6-Methylbenzoic Acid
中文名称2-氟-6-甲基苯甲酸
IUPAC名称2-fluoro-6-methylbenzoic acid
其它别名2-Fluoro-6-methylbenzoicacid
CAS编号90259-27-1
MFCD编号:MFCD06658162
EINECS号:630-091-8
分子式:C8H7FO2
分子量:154.14
产品CID: 1934638
产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

相似结构搜索
InChIKey: WELNSIYTQJSNRP-UHFFFAOYSA-N
InChI=1S/C8H7FO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)…
计算化学: 氢键受体数1.0氢键供体数1可旋转键数1

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别急性毒性类别4(经口)
特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2
严重眼刺激类别2A
警示词Warning(警告)
危险描述H302 |吞咽有害.
H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险品标志Xi,Xn
风险等级Irritant
安全声明H302 (96.55%)H315 (34.48%)H319 (34.48%)
危险类别码22

欧盟法规

ECHA物质C&L通报

上下游产品

CAS号197516-56-6 2-(2-fluoro-6-m... | CAS号535961-78-5 2-氟-6-甲基-苯甲酰氯 | CAS号1149379-03-2 6-Fluoro-3-iodo...

合成工艺路线路线简述

445-29-4 = 90259-27-1
反应条件:1.1 Catalysts: Iron(Iii) Acetylacetonate,Benzenamine,4-[bis[2-(Diphenylphosphino)Phenyl]Phosphino]-N,N-Dimethyl- Solvents: Toluene,Tetrahydrofuran,1,2-Dimethoxyethane; Rt; 5 Min,Rt1.2 Reagents: 2,3-Dichlorobutane; 24 H,70 °C; 70 °C -> Rt1.3 Solvents: Methanol,Ethyl Acetate; Rt1.4 Reagents: Hydrochloric Acid Solvents: 1,4-Dioxane; Acidified,Rt
标题:Iron-Catalyzed Ortho C-H Methylation Of Aromatics Bearing A Simple Carbonyl Group With Methylaluminum And Tridentate Phosphine Ligand
作者:Shang,Rui; Ilies,Laurean; Nakamura,Eiichi
参考文献:Journal Of The American Chemical Society 日期:2016 卷标:138(32) 页码:10132-10135]

445-29-4 + 13862-28-7 = 90259-27-1
反应条件:1.1 Reagents: Silver Carbonate,Dipotassium Phosphate Catalysts: Iridium,Di-μ-Chlorodichlorobis[(1,2,3,4,5-η)-1,2,3,4,5-Pentamethyl-2,4-Cyclopen... Solvents: 1,1,1,3,3,3-Hexafluoro-2-Propanol; 18 H,60 °C
标题:Iridium-Catalyzed C-H Methylation And D3-Methylation Of Benzoic Acids With Application To Late-Stage Functionalizations
作者:Weis,Erik; Hayes,Martin A.; Johansson,Magnus J.; Martin-Matute,Belen
参考文献:Iscience 日期:2021 卷标:24(5)]

197516-56-6 = 90259-27-1
反应条件:1.1 Reagents: Methyl Iodide; 15 H,Rt1.2 Reagents: Sodium Hydroxide Solvents: Methanol; 15 H,Reflux
标题:N-Aroyl-L-Phenylalanine Derivatives As Vcam/vla-4 Antagonists
作者:Sidduri,Achyutharao; Tilley,Jefferson W.; Lou,Jian Ping; Chen,Li; Kaplan,Gerry; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2002 卷标:12(17) 页码:2479-2482

2-(2-Fluoro-6-Methylphenyl)-4,4-Dimethyl-4,5-Dihydrooxazole置于盐酸体系中,用水作为反应溶剂,化学反应生成 2-氟-6-甲基苯甲酸
参考文献: Derivatives Of N-(1H-Indazolyl)-And N-(1H-Indolyl)-Urea As Well As Related Compounds As Modulators Of The Vanilloid-1 Receptor (Vr1) For The Treatment Of Pain[fr] Urees Heteroaromatiques Modulant La Fonction Du Recepteur Vanilloiode-1 (Vr1)
标题: Derivatives Of N-(1H-Indazolyl)-And N-(1H-Indolyl)-Urea As Well As Related Compounds As Modulators Of The Vanilloid-1 Receptor (Vr1) For The Treatment Of Pain[fr] Urees Heteroaromatiques Modulant La Fonction Du Recepteur Vanilloiode-1 (Vr1)

海关参考信息

2905110000-甲醇
2906210000-苄醇
2912110000-甲醛
2912210000-苯甲醛
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-2025236897-A1
优先权日:2022-02-16
标题 :Processes for preparation of avacopan and intermediates thereof
发明人：GYUJTO IMRE; PAAL TIHAMER; JUHASZ ZSUZSA POTARINE; ESZENYI DANIEL; ZAHUCZKY GABOR JOZSEF; KONDOR ZOLTAN; RENGASAMY VADIVELAN; PRAJAPATI RAMKARAN; DAUND VAIBHAV SURESH; SAINGER SHACHI; KADU RUSHIKESH; SHARMA VISHAL
权利人:TEVA PHARMACEUTICALS INT GMBH
摘要:The present disclosure encompasses a process for chiral resolution of racemic amines, particularly ethyl 2-(4-((tert-butoxycarbonyl)amino)phenyl)piperidine-3-carboxylate, into its desired isomer, ethyl (2R,3S)-2-(4-((tert-butoxycarbonyl)amino)phenyl)-piperidine-3-carboxylate, which is an intermediate useful in the synthesis of Avacopan.

专利号:US-2022056053-A1
优先权日:2019-05-06
标题:Synthesis of crac channel inhibitors
发明人：STAUDERMAN KENNETH A; DUNN MICHAEL; WHITTEN JEFFREY P; ROGERS EVAN
权利人:CALCIMEDICA INC
摘要:A convergent synthetic method for the production of CRAC channel inhibitors is described herein. The synthetic method provides a method for producing highly pure CRAC channel inhibitors for clinical testing.

专利号:WO-2020227312-A1
优先权日:2019-05-06
标题:Synthesis of crac channel inhibitors

专利号:WO-2022101654-A1
优先权日:2020-11-13
标题:Improved synthesis of crac channel inhibitors

专利号:CA-3139284-A1
优先权日:2019-05-06
标题 :Synthesis of crac channel inhibitors

专利号:KR-20220005559-A
优先权日:2019-05-06
标题:Synthesis of CRAC Channel Inhibitors